4-[[(3S)-1-(3,4-dimethylbenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide

C25H32N2O3 — CID 95097911

IUPAC4-[[(3S)-1-(3,4-dimethylbenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N2CCC[C@H](COc3ccc(C(=O)NC(C)C)cc3)C2)cc1C
InChIInChI=1S/C25H32N2O3/c1-17(2)26-24(28)21-9-11-23(12-10-21)30-16-20-6-5-13-27(15-20)25(29)22-8-7-18(3)19(4)14-22/h7-12,14,17,20H,5-6,13,15-16H2,1-4H3,(H,26,28)/t20-/m0/s1
InChIKeyAUPNTZUUBDKWHR-FQEVSTJZSA-N
MW408.54 g/mol
LogP4.37
Rot. Bonds6

About 4-[[(3S)-1-(3,4-dimethylbenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide

4-[[(3S)-1-(3,4-dimethylbenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide (PubChem CID 95097911) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 4-[[(3S)-1-(3,4-dimethylbenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[(3S)-1-(3,4-dimethylbenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
PubChem CID95097911
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name4-[[(3S)-1-(3,4-dimethylbenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N2CCC[C@H](COc3ccc(C(=O)NC(C)C)cc3)C2)cc1C
InChIInChI=1S/C25H32N2O3/c1-17(2)26-24(28)21-9-11-23(12-10-21)30-16-20-6-5-13-27(15-20)25(29)22-8-7-18(3)19(4)14-22/h7-12,14,17,20H,5-6,13,15-16H2,1-4H3,(H,26,28)/t20-/m0/s1
InChIKeyAUPNTZUUBDKWHR-FQEVSTJZSA-N
XLogP4.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3S)-1-acetylpiperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097994
4-[[(3R)-1-(2-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097997
4-[[(3R)-1-(2,6-difluorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097967
4-[[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097972
N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097896
4-[[(3S)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097980
N-cyclopropyl-4-[[1-(4-methoxy-2-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 53150228
N-cyclopropyl-4-[[(3R)-1-(3,4-difluorobenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097835
4-[[1-(4-methylbenzoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
CID 53150590
N-cyclopropyl-4-[[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097799
4-[[1-(4-chlorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
CID 53150189
[4-[[(3R)-1-(2,4-dimethylbenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097584

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-1-(3,4-dimethylbenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[(3S)-1-(3,4-dimethylbenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide (CID 95097911) is 4-[[(3S)-1-(3,4-dimethylbenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[(3S)-1-(3,4-dimethylbenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[(3S)-1-(3,4-dimethylbenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide is Cc1ccc(C(=O)N2CCC[C@H](COc3ccc(C(=O)NC(C)C)cc3)C2)cc1C.
What is the InChIKey of 4-[[(3S)-1-(3,4-dimethylbenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide?
The InChIKey is AUPNTZUUBDKWHR-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-17(2)26-24(28)21-9-11-23(12-10-21)30-16-20-6-5-13-27(15-20)25(29)22-8-7-18(3)19(4)14-22/h7-12,14,17,20H,5-6,13,15-16H2,1-4H3,(H,26,28)/t20-/m0/s1.
What are the key properties of 4-[[(3S)-1-(3,4-dimethylbenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide?
4-[[(3S)-1-(3,4-dimethylbenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide has a molecular weight of 408.54 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-1-(3,4-dimethylbenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide is sourced from PubChem (CID 95097911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).